N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine

C18H14ClN5O — CID 155008905

IUPACN-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine
SMILESCOc1cc(-c2cnc(Nc3nc4ccccc4[nH]3)nc2)ccc1Cl
InChIInChI=1S/C18H14ClN5O/c1-25-16-8-11(6-7-13(16)19)12-9-20-17(21-10-12)24-18-22-14-4-2-3-5-15(14)23-18/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeySWXVUAMHBBAINQ-UHFFFAOYSA-N
MW351.80 g/mol
LogP4.43
Rot. Bonds4

About N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine

N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine (PubChem CID 155008905) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine
PubChem CID155008905
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC NameN-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine
SMILESCOc1cc(-c2cnc(Nc3nc4ccccc4[nH]3)nc2)ccc1Cl
InChIInChI=1S/C18H14ClN5O/c1-25-16-8-11(6-7-13(16)19)12-9-20-17(21-10-12)24-18-22-14-4-2-3-5-15(14)23-18/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeySWXVUAMHBBAINQ-UHFFFAOYSA-N
XLogP4.43
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloro-3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 166882327
N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 115143741
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263
2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole
CID 122447487
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine (CID 155008905) is N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine is COc1cc(-c2cnc(Nc3nc4ccccc4[nH]3)nc2)ccc1Cl.
What is the InChIKey of N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine?
The InChIKey is SWXVUAMHBBAINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-25-16-8-11(6-7-13(16)19)12-9-20-17(21-10-12)24-18-22-14-4-2-3-5-15(14)23-18/h2-10H,1H3,(H2,20,21,22,23,24).
What are the key properties of N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine?
N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine has a molecular weight of 351.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 155008905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).